N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide

C16H25N3O2 — CID 62854007

IUPACN-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
SMILESCCNCC(C)C(=O)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-17-11-13(3)15(20)18-9-10-19-16(21)14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQEZBAMKTZRKBLT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.09
Rot. Bonds8

About N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide

N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide (PubChem CID 62854007) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
PubChem CID62854007
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
SMILESCCNCC(C)C(=O)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-17-11-13(3)15(20)18-9-10-19-16(21)14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQEZBAMKTZRKBLT-UHFFFAOYSA-N
XLogP1.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-[2-[(5-amino-2-methylpentanoyl)amino]ethyl]-4-methylbenzamide
CID 104684616
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119506026
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
4-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 62837304
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 62853093
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide (CID 62854007) is N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide is CCNCC(C)C(=O)NCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is QEZBAMKTZRKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-17-11-13(3)15(20)18-9-10-19-16(21)14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide?
N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 62854007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).